⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23475259 | 0.77 | — | — | |
| SCHEMBL18028046 | 0.74 | NEU4 (0.32) | — | |
| SCHEMBL14780793 | 0.73 | — | — | |
| SCHEMBL8288901 | 0.72 | — | — | |
| SCHEMBL8171872 | 0.72 | — | — | |
| SCHEMBL12368072 | 0.72 | — | — | |
| SCHEMBL3386310 | 0.72 | — | — | |
| SCHEMBL10207366 | 0.72 | — | — | |
| SCHEMBL16656709 | 0.72 | — | — | |
| SCHEMBL14091444 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3260442-B1 | PROCESS FOR PREPARATION OF OPTICALLY PURE N-SUBSTITUTED-3-METHOXYPROPIONIC ACID DERIVATIVES | SCI PHARMTECH INC (TW) | 2019-05-01 | — | — | EP | disclosed |